6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C24H24F3N3 — CID 17025879

IUPAC6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12
InChIInChI=1S/C24H24F3N3/c1-14-21-19(24(25,26)27)10-20(23-11-15-7-16(12-23)9-17(8-15)13-23)28-22(21)30(29-14)18-5-3-2-4-6-18/h2-6,10,15-17H,7-9,11-13H2,1H3
InChIKeyODILQXBQNPJGCI-UHFFFAOYSA-N
MW411.47 g/mol
LogP6.22
Rot. Bonds2

About 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 17025879) has the molecular formula C24H24F3N3 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID17025879
Molecular FormulaC24H24F3N3
Molecular Weight411.47 g/mol
Exact Mass411.19
IUPAC Name6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12
InChIInChI=1S/C24H24F3N3/c1-14-21-19(24(25,26)27)10-20(23-11-15-7-16(12-23)9-17(8-15)13-23)28-22(21)30(29-14)18-5-3-2-4-6-18/h2-6,10,15-17H,7-9,11-13H2,1H3
InChIKeyODILQXBQNPJGCI-UHFFFAOYSA-N
XLogP6.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 17025879) is 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2)c2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12.
What is the InChIKey of 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is ODILQXBQNPJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3/c1-14-21-19(24(25,26)27)10-20(23-11-15-7-16(12-23)9-17(8-15)13-23)28-22(21)30(29-14)18-5-3-2-4-6-18/h2-6,10,15-17H,7-9,11-13H2,1H3.
What are the key properties of 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 411.47 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-3-methyl-1-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17025879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).